6-methyl-1,5,2-dioxazocane

C6H13NO2 — CID 155479738

IUPAC6-methyl-1,5,2-dioxazocane
SMILESCC1CCONCCO1
InChIInChI=1S/C6H13NO2/c1-6-2-4-9-7-3-5-8-6/h6-7H,2-5H2,1H3
InChIKeyQUBGSNFJEALNNJ-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.32
Rot. Bonds

About 6-methyl-1,5,2-dioxazocane

6-methyl-1,5,2-dioxazocane (PubChem CID 155479738) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 6-methyl-1,5,2-dioxazocane.

Molecular Properties

Compound Name6-methyl-1,5,2-dioxazocane
PubChem CID155479738
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name6-methyl-1,5,2-dioxazocane
SMILESCC1CCONCCO1
InChIInChI=1S/C6H13NO2/c1-6-2-4-9-7-3-5-8-6/h6-7H,2-5H2,1H3
InChIKeyQUBGSNFJEALNNJ-UHFFFAOYSA-N
XLogP0.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,5,2-dioxazocane?
The IUPAC name of 6-methyl-1,5,2-dioxazocane (CID 155479738) is 6-methyl-1,5,2-dioxazocane.
What is the SMILES notation for 6-methyl-1,5,2-dioxazocane?
The canonical SMILES for 6-methyl-1,5,2-dioxazocane is CC1CCONCCO1.
What is the InChIKey of 6-methyl-1,5,2-dioxazocane?
The InChIKey is QUBGSNFJEALNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6-2-4-9-7-3-5-8-6/h6-7H,2-5H2,1H3.
What are the key properties of 6-methyl-1,5,2-dioxazocane?
6-methyl-1,5,2-dioxazocane has a molecular weight of 131.18 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,5,2-dioxazocane is sourced from PubChem (CID 155479738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).